The MFAssignR package was designed for multi-element molecular formula (MF) assignment of ultrahigh resolution mass spectrometry measurements. A number of tools for internal mass recalibration, MF assignment, signal-to-noise evaluation, and unambiguous formula selections are provided.
The columns should be expected but not in a set order of things.
https://github.com/RECETOX/MFAssignR/blob/878c1d2f48cd9508bfaf0deb25a2256c0cf7f105/MFAssignR/R/KMDNoise.R#L82-L88